(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

Base Information

Chemical Name:(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide
CAS No.:1315326-96-5
Molecular Formula:C₃₉H₄₀F₃N₇O₇S₂
Molecular Weight:839.917
Hs Code.:

(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

Synonyms:(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

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Chemical Property of (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

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Technology Process of (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

There total 12 articles about (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 1315326-95-4
(2R,6S,13aS,14aR,16aS,Z)-6-amino-N-(cyclopropylsulfonyl)-5,16-dioxo-2-(2-(4-(trifluoromethyl)phenyl)-benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrol-e[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide hydrochloride

: 6160-65-2
1,1'-Thiocarbonyldiimidazole

: 1315326-96-5
(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

Guidance literature:: (2R,6S,13aS,14aR,16aS,Z)-6-amino-N-(cyclopropylsulfonyl)-5,16-dioxo-2-(2-(4-(trifluoromethyl)phenyl)-benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrol-e[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide hydrochloride; 1,1'-Thiocarbonyldiimidazole; With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 1.5h;

With ammonia; In tetrahydrofuran; methanol; at 20 ℃; for 3.5h;

Reference yield:

: 54802-10-7
3-aminobenzofuran-2-carboxamide

: 1315326-96-5
(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

Guidance literature:: Multi-step reaction with 10 steps

1.1: pyridine / tetrahydrofuran / 0 - 20 °C

2.1: potassium tert-butylate / water; tert-butyl alcohol / 70 °C

2.2: pH ~ 2

3.1: trichlorophosphate / 1,4-dioxane / 6.5 h / 0 - 110 °C

3.2: pH 8

4.1: sodium t-butanolate / dimethyl sulfoxide / 2 h / 10 - 20 °C

4.2: 1 h / 20 °C

4.3: pH ~ 3

5.1: benzotriazol-1-ol; 4-methyl-morpholine; HATU / dichloromethane / 3 h / 20 °C

6.1: thionyl chloride / methanol / 5 h / 0 - 45 °C

7.1: benzotriazol-1-ol; 4-methyl-morpholine; HATU / dichloromethane / 2 h / 20 °C

8.1: Hoveyda-Grubbs catalyst second generation / dichloromethane / 36 h / 40 °C

9.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 7 h / 0 - 20 °C

10.1: triethylamine / tetrahydrofuran / 1.5 h / 0 - 20 °C

10.2: 3.5 h / 20 °C

With 4-methyl-morpholine; pyridine; hydrogenchloride; thionyl chloride; potassium tert-butylate; benzotriazol-1-ol; triethylamine; HATU; sodium t-butanolate; trichlorophosphate; Hoveyda-Grubbs catalyst second generation; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; dimethyl sulfoxide; tert-butyl alcohol;

Reference yield:

: 611-20-1
salicylonitrile

: 1315326-96-5
(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-5,16-dioxo-6-thioureido-2-(2-(4-(trifluoromethyl)phenyl)benzofuro[3,2-d]pyrimidin-4-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide

Guidance literature:: Multi-step reaction with 12 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 60 °C

1.2: 3 h / 80 °C

2.1: potassium tert-butylate / tert-butyl alcohol / 3 h / 80 °C

3.1: pyridine / tetrahydrofuran / 0 - 20 °C

4.1: potassium tert-butylate / water; tert-butyl alcohol / 70 °C

4.2: pH ~ 2

5.1: trichlorophosphate / 1,4-dioxane / 6.5 h / 0 - 110 °C

5.2: pH 8

6.1: sodium t-butanolate / dimethyl sulfoxide / 2 h / 10 - 20 °C

6.2: 1 h / 20 °C

6.3: pH ~ 3

7.1: benzotriazol-1-ol; 4-methyl-morpholine; HATU / dichloromethane / 3 h / 20 °C

8.1: thionyl chloride / methanol / 5 h / 0 - 45 °C

9.1: benzotriazol-1-ol; 4-methyl-morpholine; HATU / dichloromethane / 2 h / 20 °C

10.1: Hoveyda-Grubbs catalyst second generation / dichloromethane / 36 h / 40 °C

11.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 7 h / 0 - 20 °C

12.1: triethylamine / tetrahydrofuran / 1.5 h / 0 - 20 °C

12.2: 3.5 h / 20 °C

With 4-methyl-morpholine; pyridine; hydrogenchloride; thionyl chloride; potassium tert-butylate; potassium carbonate; benzotriazol-1-ol; triethylamine; HATU; sodium t-butanolate; trichlorophosphate; Hoveyda-Grubbs catalyst second generation; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; tert-butyl alcohol;